CID 58540400

1-bromo-4-fluoro-2-methyl-3-nitrobenzene

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
CC1=C(C=CC(=C1[N+](=O)[O-])F)Br
InChI
InChI=1S/C7H5BrFNO2/c1-4-5(8)2-3-6(9)7(4)10(11)12/h2-3H,1H3
InChIKey
AIBRJIYOSLKVFL-UHFFFAOYSA-N
Compound name
1-bromo-4-fluoro-2-methyl-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

232.94878 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95606 141.5
[M+Na]+ 255.93800 145.7
[M+NH4]+ 250.98260 146.1
[M+K]+ 271.91194 147.7
[M-H]- 231.94150 142.2
[M+Na-2H]- 253.92345 144.4
[M]+ 232.94823 141.0
[M]- 232.94933 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe